carboxy-diethyl-(2-hydroxyethyl)azanium

C7H16NO3+ — CID 134896586

IUPACcarboxy-diethyl-(2-hydroxyethyl)azanium
SMILESCC[N+](CC)(CCO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-3-8(4-2,5-6-9)7(10)11/h9H,3-6H2,1-2H3/p+1
InChIKeyKTFZPJKCICDXHW-UHFFFAOYSA-O
MW162.21 g/mol
LogP0.51
Rot. Bonds4

About carboxy-diethyl-(2-hydroxyethyl)azanium

carboxy-diethyl-(2-hydroxyethyl)azanium (PubChem CID 134896586) has the molecular formula C7H16NO3+ and a molecular weight of 162.21 g/mol. Its IUPAC name is carboxy-diethyl-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Namecarboxy-diethyl-(2-hydroxyethyl)azanium
PubChem CID134896586
Molecular FormulaC7H16NO3+
Molecular Weight162.21 g/mol
Exact Mass162.11
IUPAC Namecarboxy-diethyl-(2-hydroxyethyl)azanium
SMILESCC[N+](CC)(CCO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-3-8(4-2,5-6-9)7(10)11/h9H,3-6H2,1-2H3/p+1
InChIKeyKTFZPJKCICDXHW-UHFFFAOYSA-O
XLogP0.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carboxy-diethyl-(2-hydroxyethyl)azanium?
The IUPAC name of carboxy-diethyl-(2-hydroxyethyl)azanium (CID 134896586) is carboxy-diethyl-(2-hydroxyethyl)azanium.
What is the SMILES notation for carboxy-diethyl-(2-hydroxyethyl)azanium?
The canonical SMILES for carboxy-diethyl-(2-hydroxyethyl)azanium is CC[N+](CC)(CCO)C(=O)O.
What is the InChIKey of carboxy-diethyl-(2-hydroxyethyl)azanium?
The InChIKey is KTFZPJKCICDXHW-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15NO3/c1-3-8(4-2,5-6-9)7(10)11/h9H,3-6H2,1-2H3/p+1.
What are the key properties of carboxy-diethyl-(2-hydroxyethyl)azanium?
carboxy-diethyl-(2-hydroxyethyl)azanium has a molecular weight of 162.21 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy-diethyl-(2-hydroxyethyl)azanium is sourced from PubChem (CID 134896586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).